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Browsing by Author Tsipis, C. A.
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Showing results 1 to 20 of 28
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Ab initio Quantum Chemical Study of the Coordination Preferences and Catalytic Role of Cu+ Ions in the Dehydration Reactions of Hydroxyformaldoxime Conformers and the oxidation of HCN to Hydroxyformaldoxime by Hydrogen Peroxide
Pantazis, D. A.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
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Aromatic gold and silver 'rings': Hydrosilver(I) and hydrogold(I) analogues of aromatic hydrocarbons
Tsipis, C. A.
;
Karagiannis, E. E.
;
Kladou, P. F.
;
Tsipis, A. C.
24-Nov-2015
-
Density functional study of configurational, conformational, energetic, electronic and spectroscopic properties of fluorohydroxyformaldoxime and its dehydration products
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Density Functional Study of the Electronic Structure and Related Properties of Pt(NO)/Pt(NO2) Redox Couple
Karipidis, P.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
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Diagnosis of Magnetoresponsive Aromatic and Antiaromatic Zones in Three-Membered Rings of d- and f-Block Elements
Tsipis, A. C.
;
Depastas, I. G.
;
Karagiannis, E. E.
;
Tsipis, C. A.
24-Nov-2015
-
Diagnosis of the Οƒ-, Ο€- and (Οƒ+Ο€)-Aromaticity by the Shape of the NICSzz-Scan Curves and Symmetry-Based Selection Rules
Tsipis, A. C.
;
Depastas, I. G.
;
Tsipis, C. A.
24-Nov-2015
-
Experimental and quantum chemical study of the mechanism of an unexpected intramolecular reductive coupling of a bridging phosphido ligand and a C6F5 group and the reversible oxidative addition of PPh2C6F5
Chaouche, N.
;
Fornies, J.
;
Fortuno, C.
;
Kribii, A.
;
Martin, A.
;
Karipidis, P.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
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From a 44-electron to a 48-electron trinuclear phosphido platinum complex: density functional study of [{(CF3)(PH3)Pt (mu-PH2)(mu-H)}(2)Pt] and [{(CF3)(PH3)Pt(mu-PH2)(mu-I)}(2)Pt] model compounds
Ara, I.
;
Chaouche, N.
;
Fornies, J.
;
Fortuno, C.
;
Kribii, A.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Ground and Excited State Properties of the Cationic and Anionic First Row Transition- Metal Oxide Diatomics Calculated by an Improved ASED-MO Model
Bakalbassis, E. G.
;
Stiakaki, M.-A. D.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Ground and low-lying excited state properties of the first-row transition-metal oxide diatomics calculated by an improved ASED-MO model
Bakalbassis, E. G.
;
Stiakaki, M.-A. D.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Hydrometal Analogues of Aromatic Hydrocarbons:"‰ A New Class of Cyclic Hydrocoppers(I)
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Ligand-stabilized aromatic three-membered gold rings and their sandwichlike complexes
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model study
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Molecular Geometries and Energetics of Metal-Containing Systems Using a Modified Extended HΕ±ckel Molecular Orbital Method: A Systematic Test to 1 and 2 Group Metal-Containing Systems in the Gas-Phase
Stiakaki, M.-A. D.
;
Tsipis, A. C.
;
Tsipis, C. A.
;
Xanthopoulos, C. E.
24-Nov-2015
-
Molecular Transition Metal Oxides:"‰ Ab Initio and Density Functional Electronic Structure Study of Tungsten Oxide Clusters
Tsipis, C. A.
;
Tsipis, A. C.
24-Nov-2015
-
Quantum Chemical Study of the Interaction of Calcium Cations (Ca2+) with Glycolic Acid Conformers and their Conjugate Bases in the Gas Phase
Tsipis, A, C.
;
Tsipis, C. A.
;
Valla, V.
24-Nov-2015
-
Reversible transformation of two diphenylphosphanido ligands into the neutral tetraphenyldiphosphane ligand
Fornies, J.
;
Fortuno, C.
;
Ibanez, S.
;
Martin, A.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
The role of the 5f orbitals in bonding, aromaticity, and reactivity of planar lsocyclic and heterocyclic uranium clusters
Tsipis, A. C.
;
Kefalidis, C. E.
;
Tsipis, C. A.
24-Nov-2015
-
Spectroscopic Constants and Energetics of Metal-containing Systems. Experiment for the Undergraduate Computational Chemistry Laboratory
Bakalbassis, E. G.
;
Stiakaki, M.-A. D.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-
Structural, Electronic, Bonding, Magnetic, and Optical Properties of Bimetallic [Ru(n)Au(m)](0/+) (n plus m <= 3) Clusters
Garbounis, D. N.
;
Tsipis, A. C.
;
Tsipis, C. A.
24-Nov-2015
-